2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

C17H19N3O3S2 — CID 2573129

IUPAC2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H19N3O3S2/c1-24-17-15(5-4-10-18-17)16(21)19-13-6-8-14(9-7-13)25(22,23)20-11-2-3-12-20/h4-10H,2-3,11-12H2,1H3,(H,19,21)
InChIKeyDHNLGFACVVOGKJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.84
Rot. Bonds5

About 2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 2573129) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID2573129
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C17H19N3O3S2/c1-24-17-15(5-4-10-18-17)16(21)19-13-6-8-14(9-7-13)25(22,23)20-11-2-3-12-20/h4-10H,2-3,11-12H2,1H3,(H,19,21)
InChIKeyDHNLGFACVVOGKJ-UHFFFAOYSA-N
XLogP2.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (CID 2573129) is 2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is DHNLGFACVVOGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-24-17-15(5-4-10-18-17)16(21)19-13-6-8-14(9-7-13)25(22,23)20-11-2-3-12-20/h4-10H,2-3,11-12H2,1H3,(H,19,21).
What are the key properties of 2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2573129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).